N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide

C15H13Cl2N3OS — CID 15954828

IUPACN-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2N3OS/c1-9(21)18-10-5-7-11(8-6-10)19-15(22)20-13-4-2-3-12(16)14(13)17/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyDRODEJMLXFWEOS-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.76
Rot. Bonds3

About N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide

N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide (PubChem CID 15954828) has the molecular formula C15H13Cl2N3OS and a molecular weight of 354.26 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide
PubChem CID15954828
Molecular FormulaC15H13Cl2N3OS
Molecular Weight354.26 g/mol
Exact Mass353.02
IUPAC NameN-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2N3OS/c1-9(21)18-10-5-7-11(8-6-10)19-15(22)20-13-4-2-3-12(16)14(13)17/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyDRODEJMLXFWEOS-UHFFFAOYSA-N
XLogP4.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide (CID 15954828) is N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
The InChIKey is DRODEJMLXFWEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3OS/c1-9(21)18-10-5-7-11(8-6-10)19-15(22)20-13-4-2-3-12(16)14(13)17/h2-8H,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide has a molecular weight of 354.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]acetamide is sourced from PubChem (CID 15954828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).